Affiliation: Department of Pharmacology and Physiology, Faculty of Medicine, University of Montreal
Website: https://nrglab.github.io/
LinkedIn: https://www.linkedin.com/in/rnajmanovich/
Twitter: https://x.com/rnajmanovich
Research Summary: Our research traverses from genomes to small molecules integrating systems, structural and computational pharmacology as well as chemo- and bioinformatics. Our work is divided into four interconnected but independent axes within which we combine the development and use of innovative computational methods with experimentally validation. Namely: 1. The reconstruction and simulation of metabolic networks; 2. The detection of binding-site structural similarities to predict cross-reactivity of drugs, polypharmacology; 3. Simulation of dynamic aspects of protein function to predict the effect of mutations on dynamics, function and stability with applications to protein engineering; and 4. The development of docking algorithms, in particular ultra-massive virtual screening.
